(Perfluoro-N-propyl)phenyliodonium trifluoromethanesulfonate

C₁₀H₅F₁₀IO₃SCAS 77758-79-3522.10 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Sulfonic acid

Properties

Molecular formula: C₁₀H₅F₁₀IO₃S
Molar mass: 522.10 g/mol
Exact mass: 521.8844 Da
logP: 0.79Crippen estimate
Polar surface area: 57.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

77758-79-3

SMILES

C1=CC=C(C=C1)[I+]C(C(C(F)(F)F)(F)F)(F)F.C(F)(F)(F)S(=O)(=O)[O-]

InChIKey

YBVOPUOUKFHORP-UHFFFAOYSA-M

InChI

InChI=1S/C9H5F7I.CHF3O3S/c10-7(11,8(12,13)14)9(15,16)17-6-4-2-1-3-5-6;2-1(3,4)8(5,6)7/h1-5H;(H,5,6,7)/q+1;/p-1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

(Perfluoropropyl)phenyliodonium Trifluoromethanesulfonate

Work with (Perfluoro-N-propyl)phenyliodonium trifluoromethanesulfonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Triflic acid1493-13-6Free acid Lithium triflate33454-82-9Salt Copper(II) triflate34946-82-2Salt Silver trifluoromethanesulfonate2923-28-6Salt Zinc triflate54010-75-2Salt Scandium(III) trifluoromethanesulfonate144026-79-9Salt N-Fluoropyridinium triflate107263-95-6Salt 1-Butyl-3-methylimidazolium trifluoromethanesulfonate174899-66-2Salt 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate145022-44-2Salt Triphenylsulfonium triflate66003-78-9Salt Yttrium triflate52093-30-8Salt Diphenyliodonium triflate66003-76-7Salt

Similar compounds

Triphenylsulfonium nonafluorobutanesulfonate144317-44-246 % similar Hafnium(IV) trifluoromethanesulfonate161337-67-338 % similar Lithium nonafluorobutanesulfonate131651-65-536 % similar Potassium perfluorobutanesulfonate29420-49-336 % similar Potassium perfluorooctanesulfonate2795-39-335 % similar Potassium perfluorohexanesulfonate3871-99-635 % similar 2,2,3,3,4,4,4-Heptafluoro-1-phenylbutan-1-one559-91-131 % similar Bis(trifluoromethanesulfonyl)aniline37595-74-731 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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